
 OpenBabel04291915373D

 63 67  0  0  1  0  0  0  0  0999 V2000
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    7.2331    0.6004   -2.8144 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6617   -0.0252    0.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3414    0.0272   -0.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9085    0.2835   -1.3110 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0727    0.4369   -2.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9802    0.6581   -3.0749 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5021    0.9412   -4.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6843    1.1400   -5.3318 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1776    1.4401   -6.7331 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3599    1.6389   -7.6676 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9536    0.7489   -7.6860 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3906    0.6021   -2.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8699    1.9290   -9.0228 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4974   -0.1785    0.8518 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9303   -0.4349    2.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326   -0.6294    2.9617 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2072   -0.4856    2.2810 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1093   -0.2903    1.3641 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3162   -0.3382    1.5833 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6854   -0.7688    3.6035 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1674   -0.7700    3.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -1.0057    4.7030 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1299   -1.2516    5.8397 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8013   -1.4953    6.9769 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1442   -1.4964    6.9766 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7869   -0.7641    3.5653 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1155   -0.5204    2.4282 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -0.5353    2.5032 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8565   -0.2527    1.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0871   -0.1226    0.5957 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2598    1.0322   -4.8325 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5693    0.0182   -4.2758 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5712    1.7268   -3.9102 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1752    0.8613    0.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1738   -0.8473   -0.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9084    1.8312   -4.3790 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9069    0.1225   -4.7444 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2780    0.2500   -5.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2795    1.9587   -4.9848 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5839    2.3301   -6.7148 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5825    0.6214   -7.0801 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7862   -0.3516   -2.5382 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9152    1.1467   -2.0618 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6632    2.0624   -9.6499 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3039    2.7774   -9.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3280   -1.7283    3.9141 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3294   -0.0196    4.2795 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2709   -1.4369    6.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6459   -1.0651    4.9656 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2853   -1.6817    7.8509 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0938   -1.5816    7.3716 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9085   -0.2944    1.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5987    0.7192    0.8070 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5973   -0.9895    0.4416 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3550    0.6421    1.1997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3565   -1.0666    0.8343 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  2  3  3  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 40  1  0  0  0  0
  4 41  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6 22  1  0  0  0  0
  7 18  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 42  1  0  0  0  0
 11 43  1  0  0  0  0
 12 13  1  0  0  0  0
 12 44  1  0  0  0  0
 12 45  1  0  0  0  0
 13 14  1  0  0  0  0
 13 46  1  0  0  0  0
 13 47  1  0  0  0  0
 14 17  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 18 36  1  0  0  0  0
 18 19  1  0  0  0  0
 19 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 24  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 24 52  1  0  0  0  0
 24 53  1  0  0  0  0
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 25 34  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
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 28 29  1  0  0  0  0
 28 54  1  0  0  0  0
 29 30  2  0  0  0  0
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 30 31  1  0  0  0  0
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 31 32  2  0  0  0  0
 31 57  1  0  0  0  0
 32 33  1  0  0  0  0
 33 35  1  0  0  0  0
 33 34  2  0  0  0  0
 35 58  1  0  0  0  0
 35 59  1  0  0  0  0
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 36 61  1  0  0  0  0
 36 62  1  0  0  0  0
 36 63  1  0  0  0  0
M  END
>  <SKU>
A11224

>  <Product Name>
Linagliptin (BI-1356)

>  <CAS>
668270-12-0

>  <M.Wt>
472.54222

>  <Formula>
C25H28N8O2

>  <Synonyms>
BI-1356,Tradjenta,Trajenta

>  <URL>
https://www.adooq.com/linagliptin.html

$$$$
